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Updated: May 22, 2026
08:51
Scale-up Chemical Synthesis of Thermally-activated Delayed Fluorescence Emitters Based on the Dibenzothiophene-S,S-Dioxide Core
Published on: October 24, 2017
3-Methyl-1-benzofuran-2-carbohydrazide.
Summary
This study details the crystal structure of a benzofuran derivative, C(10)H(10)N(2)O(2). Three independent molecules form a trimer through hydrogen bonds, creating a 3D network with pi-pi interactions.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Benzofuran derivatives are important scaffolds in medicinal chemistry.
- Understanding molecular packing is crucial for material properties.
Purpose of the Study:
- To elucidate the crystal structure of a novel benzofuran derivative.
- To analyze intermolecular interactions governing crystal packing.
Main Methods:
- Single-crystal X-ray diffraction was employed.
- Analysis of hydrogen bonding and π-π interactions was performed.
Main Results:
- Three crystallographically independent molecules of C(10)H(10)N(2)O(2) were identified in the asymmetric unit.
- Molecules exhibit slight twisting between the benzofuran and carbohydrazide units.
- N-H⋯N hydrogen bonds link molecules into trimers, which form a 3D network via N-H⋯O and C-H⋯O bonds.
- π-π interactions were observed with centroid-centroid distances ranging from 3.49 to 3.86 Å.
Conclusions:
- The crystal structure reveals a complex network stabilized by multiple non-covalent interactions.
- The observed packing motif provides insights into the solid-state behavior of benzofuran derivatives.
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